N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,2,3,4-tetrazol-1-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,2,3,4-tetrazol-1-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(tetrazol-1-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(1-tetrazolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(tetrazol-1-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(tetrazol-1-yl)acetamide Formula: C16H22N6O3S MolecularWeight: 378.44928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C=NN=N2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C=NN=N2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C16H22N6O3S/c1-13-6-7-14(18-16(23)11-21-12-17-19-20-21)10-15(13)26(24,25)22-8-4-2-3-5-9-22/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,18,23)